(4-octylphenyl) 2-fluoranyl-4-(5-nonylpyrimidin-2-yl)benzoate

Systemtic Name: (4-octylphenyl) 2-fluoranyl-4-(5-nonylpyrimidin-2-yl)benzoate Openeye Name: (4-octylphenyl) 2-fluoro-4-(5-nonylpyrimidin-2-yl)benzoate CAS Name: 2-fluoro-4-(5-nonyl-2-pyrimidinyl)benzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 2-fluoro-4-(5-nonylpyrimidin-2-yl)benzoate Traditional Name: 2-fluoro-4-(5-nonylpyrimidin-2-yl)benzoic acid (4-octylphenyl) ester Formula: C34H45FN2O2 MolecularWeight: 532.731703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCCC)F

InChI

InChI=1S/C34H45FN2O2/c1-3-5-7-9-11-13-15-17-28-25-36-33(37-26-28)29-20-23-31(32(35)24-29)34(38)39-30-21-18-27(19-22-30)16-14-12-10-8-6-4-2/h18-26H,3-17H2,1-2H3